In this work, recent progress on graphene/metal oxide composites as advanced materials for HgCl2 and CO2 capture was investigated. Density Functional Theory calculations were used to understand the effects of temperature on the adsorption ability of HgCl2 and water vapor on CO2 adsorption on CaO (001) with reinforced carbon-based nanostructures using B3LYP functional. Understanding the mechanism by which mercury and CO2 adsorb on graphene/CaO (g-CaO) is crucial to the design and fabrication of effective capture technologies. The results obtained from the optimized geometries and frequencies of the proposed cluster site structures predicted that with respect to molecular binding the system possesses unusually large HgCl2 (0.1- 0.4 HgCl2 g/g sorbent) and CO2 (0.2-0.6 CO2 g/g sorbent) uptake capacities. The HgCl2 and CO2 were found to be stable on the surface as a result of the topology and a strong interaction with the g-CaO system; these results strongly suggest the potential of CaO-doped carbon materials for HgCl2 and CO2 capture applications, the functional gives reliable answers compared to available experimental data.

One of the best solutions for the deficiency of clean water, especially for developing countries, is rainwater disinfection. In the past decades a lot of studies have been made to develop photocatalytic processes using TiO2 determining the performance on their surface oriented photocatalysis. However, most of these researches failed to consider the economical aspect as well as the effectiveness on the disinfection to antibiotic resistance genes. On the other hand, due to the issues of climate change and increased impermeable layer in urban area, flooding prevention is the best solution in water management systems. To remedy these two problems, a roof-harvested rainwater storage system was designed. In addition, a breakthrough technique using a solar simulator with self-rotating TiO2 nanotubes, to apply a photocatalytic system in disinfecting storage rainwater harvested from roof, was established. Roof-harvested storage rainwater was analysed for TN, TP, SS and COD. Aside from these parameters, Escherichia coli (with multidrug resistant pB10 plasmid) was added to the sample. Samples were injected to the self-rotating TiO2 nanotube reactor system with exposure time of 0 to 360 min and 7 different setups. Results show that the developed system has increased disinfection properties compared to negative samples, though the presence of antibiotic resistant bacteria.